pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.18	AttenGpKa training set	1	0	C[S+](C)c1ccccc1C(=O)O	C[S+](C)c1ccccc1C(=O)[O-]	mol22772	C[S+](C)c1ccccc1C(=O)O